--- branches/development/src/brains/Thermo.cpp 2012/09/13 14:10:11 1798 +++ branches/development/src/brains/Thermo.cpp 2013/02/20 15:39:39 1850 @@ -35,7 +35,7 @@ * * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). - * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ @@ -324,7 +324,6 @@ namespace OpenMD { Molecule* mol; Atom* atom; RealType charge; - RealType moment(0.0); Vector3d ri(0.0); Vector3d dipoleVector(0.0); Vector3d nPos(0.0); @@ -440,7 +439,6 @@ namespace OpenMD { RealType kinetic; RealType potential; RealType eatom; - RealType AvgE_a_ = 0; // Convective portion of the heat flux Vector3d heatFluxJc = V3Zero;